Geometry & MOs

Info

ID:	122161
PubChem CID:	50796525
Reduced:	O2N5C21H25 (1)
Stoich.:	A2B5C21D25 (1)
Weight, g/mol:	373.153875
ΔH_f, kcal/mol:	-7.81
Dipole, Da:	2.48
IP(EA), eV:	-8.59(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

furan-2-yl-[4-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=CN3C2=CC(=N3)C4=CC=CC=C4

DOS

IR

Vibrations